Information card for entry 4503249

Structure parameters

• Formula: C44 H44 Cl6 Mn2 N16 O12
• Calculated formula: C44 H44 Cl6 Mn2 N16 O12
• Title of publication: A New Polycatenated 3D Array of Interlaced 2D Brickwall Layers and 1D Molecular Ladders in [Mn2(bix)3(NO3)4]·2CHCl3[bix = 1,4-bis(imidazol-1-ylmethyl)benzene] That Undergoes Supramolecular Isomerization upon Guest Removal
• Authors of publication: Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 162
• a: 14.12 ± 0.002 Å
• b: 14.443 ± 0.002 Å
• c: 15.428 ± 0.002 Å
• α: 64.468 ± 0.002°
• β: 79.16 ± 0.002°
• γ: 79.482 ± 0.002°
• Cell volume: 2770.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2511
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections: 0.3342
• Weighted residual factors for significantly intense reflections: 0.251
• Goodness-of-fit parameter for all reflections: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No